CID 48114

Brn 2587090

Structural Information

Molecular Formula

C₁₇H₁₇NO

SMILES

CC1(C2=CC=CC=C2C(C3=CC=CC=C31)C(=O)N)C

InChI

InChI=1S/C17H17NO/c1-17(2)13-9-5-3-7-11(13)15(16(18)19)12-8-4-6-10-14(12)17/h3-10,15H,1-2H3,(H2,18,19)

InChIKey

UWMZNKWXDLPJBY-UHFFFAOYSA-N

Compound name

10,10-dimethyl-9H-anthracene-9-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 251.13101 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.13829	157.7
[M+Na]+	274.12023	166.4
[M-H]-	250.12373	162.8
[M+NH4]+	269.16483	178.6
[M+K]+	290.09417	161.5
[M+H-H2O]+	234.12827	150.9
[M+HCOO]-	296.12921	177.4
[M+CH3COO]-	310.14486	169.9
[M+Na-2H]-	272.10568	163.9
[M]+	251.13046	156.3
[M]-	251.13156	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe